pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.5	AttenGpKa training set	1	0	c1cnc2c(ccc3ncc[nH+]c32)n1,c1cnc2c(ccc3[nH+]ccnc32)n1	c1cnc2c(ccc3nccnc32)n1	mol26587	c1cnc2c(ccc3nccnc32)n1